SCHEMBL7170208

SCHEMBL7170208

CC(C)c1cc(N=C=O)c(N=C=O)c(C(C)C)c1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4103801 0.87 CYP3A4 (0.33) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL8678054 0.87 CYP3A4 (0.33) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL28573888 0.80 CYP3A4 (0.41) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL194319 0.79 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL1493121 0.78 GABRA1 (0.32) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL112208 0.78 CYP3A4 (0.38) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL159676 0.76 CYP3A4 (0.37) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL8751827 0.76 CYP3A4 (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL15325735 0.74 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL11347516 0.73 TRPA1 (0.33) CYP3A4TRPA1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108084056-A A kind of block copolymerization type carbodiimides and preparation method thereof 上海朗亿功能材料有限公司 2018-05-29 CN claimed
EP-0460481-B1 Process for the stabilisation of resins containing ester groups BAYER AG (DE) 1997-04-02 EP claimed
US-5210170-A Incorporating sterically hindered isocyanate-terminated carbodiimides BAYER AKTIENGESELLSCHAFT (DE) 1993-05-11 US claimed
EP-0460481-A2 Process for the stabilisation of resins containing ester groups BAYER AG (DE) 1991-12-11 EP claimed
CN-112543776-B Polymerizable composition and optical material prepared from same SKC株式会社 2023-04-04 CN disclosed
CN-108625039-B Sound-absorbing textile composite material 科德宝两合公司 2022-01-28 CN disclosed
US-10789931-B2 Sound-absorbing textile composite CARL FREUDENBERG KG (DE) 2020-09-29 US disclosed
EP-3375602-B1 SOUND ABSORBING TEXTILE COMPOSITE FREUDENBERG CARL KG (DE) 2020-04-22 EP disclosed
EP-2430062-B2 METHOD FOR PRODUCING CARBODIIMIDES LANXESS DEUTSCHLAND GMBH (DE) 2019-07-10 EP disclosed
US-20180268801-A1 SOUND-ABSORBING TEXTILE COMPOSITE CARL FREUDENBERG KG (DE) 2018-09-20 US disclosed
EP-3375602-A1 SOUND ABSORBING TEXTILE COMPOSITE Carl Freudenberg KG (DE) 2018-09-19 EP disclosed
CN-108084056-A A kind of block copolymerization type carbodiimides and preparation method thereof 上海朗亿功能材料有限公司 2018-05-29 CN disclosed
US-4086213-A FOR POLYURETHANE SYNTHESIS AIR PRODUCTS AND CHEMICALS, INC. (US) 1978-04-25 US disclosed
US-4051165-A Preparation of biuret polyisocyanates BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-RE29213-E TRIMELLITIC ANHYDRIDE, DIISOCYANATE, GLYCINE DERIVATIVE SCHENECTADY CHEMICALS, INC. (US) 1977-05-10 US disclosed
US-4001290-A LACQUERS, COATINGS, ADHESIVES, TELOMERS, FOAM PLASTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3988268-A Polyurethane foam plastics which contain ionic groups BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed
US-3976622-A POLYURETHANES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-24 US disclosed
US-3969262-A Process for the production of synthetic plastics comprising urethane groups and biuret groups BAYER AKTIENGESELLSCHAFT (DT) 1976-07-13 US disclosed
US-3943159-A Process for the production of telomers containing isocyanate groups BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 US disclosed