SCHEMBL296108

SCHEMBL296108

CC(C)c1ccc(C(C)(C)N=C=O)c(N=C=O)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9248539 0.80 CYP3A4 (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL6659879 0.79 — —
SCHEMBL11114239 0.77 CYP3A4 (0.42) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL7591507 0.74 CYP3A4 (0.38) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL22815459 0.74 CYP3A4 (0.59) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL6704455 0.74 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL10417019 0.72 CYP2C9 (0.43) —
SCHEMBL9623236 0.70 CYP3A4 (0.40) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL29648266 0.70 KIF11 (0.40) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL5501447 0.70 KIF11 (0.40) CYP3A4ALDH1A1HPGDTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 563 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970554-B1 POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME PPG IND OHIO INC (US) 2023-09-20 — — EP claimed
US-11591436-B2 Polyurethane article and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2023-02-28 — — US claimed
US-11248083-B2 Aircraft windows PPG INDUSTRIES OHIO, INC. (US) 2022-02-15 — — US claimed
US-11149107-B2 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2021-10-19 — — US claimed
US-11008418-B2 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2021-05-18 — — US claimed
US-20200165375-A1 \"Polyurethanes, Articles and Coatings Prepared Therefrom and Methods of Making the Same\ PPG INDUSTRIES OHIO, INC. 2020-05-28 — — US claimed
US-10590230-B2 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2020-03-17 — — US claimed
US-20200071451-A1 Aircraft Windows PPG INDUSTRIES, INC. 2020-03-05 — — US claimed
US-20180282470-A1 Polyurethanes, Articles and Coatings Prepared Therefrom and Methods of Making the Same PPG INDUSTRIES OHIO, INC. 2018-10-04 — — US claimed
EP-2411433-B1 POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME PPG IND OHIO INC (US) 2018-06-20 — — EP claimed
WO-2001036508-A1 METHOD OF PREPARING AN OPTICAL POLYMERIZATE PPG INDUSTRIES OHIO, INC. (US) 2001-05-25 — — WO claimed
US-5942158-A PHOTOCHROMIC ARTICLE PPG INDUSTRIES OHIO, INC. (US) 1999-08-24 — — US claimed
US-5932681-A PHOTOCHROMIC ARTICLE PPG INDUSTRIES OHIO, INC. (US) 1999-08-03 — — US claimed
EP-0526472-B1 HOUSEHOLD GENERAL-PURPOSE ADHESIVE ON A POLYURETHANE BASIS HENKEL KGAA (DE) 1995-04-12 — — EP claimed
EP-0526472-A1 HOUSEHOLD GENERAL-PURPOSE ADHESIVE ON A POLYURETHANE BASIS. HENKEL KGAA (DE) 1993-02-10 — — EP claimed
WO-1991015529-A1 HOUSEHOLD GENERAL-PURPOSE ADHESIVE ON A POLYURETHANE BASIS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-10-17 — — WO claimed
EP-0237997-B1 THERMOSETTING RESINS AND ELECTRODEPOSITION COATING COMPOSITIONS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 1991-07-24 — — EP claimed
US-4806585-A FROM A BLOCKED DIISOCYANATE AND POLYOL; STORAGE STABILITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-02-21 — — US claimed
US-4748200-A Thermosetting resins and electrodeposition coating compositions containing the same TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-05-31 — — US claimed
US-4725661-A POLYESTERURETHANE COPOLYMER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-02-16 — — US claimed
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