SCHEMBL22500510

SCHEMBL22500510

CCCCCC(=O)c1ccc(O)c(Cl)c1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.58
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PAK1 Q13153 1/20 0.49
▸ PLA2G2A P14555 2/20 0.49
▸ PLA2G5 P39877 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ FFAR1 O14842 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ HSD17B3 P37058 7/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ THRB P10828 3/20 0.42
▸ THRA P10827 1/20 0.42
▸ PIK3CA P42336 1/20 0.41

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
SCHEMBL22500456 0.95 HTT (0.51) HTTMEN1KMT2APAK1PLA2G2A
SCHEMBL11603708 0.87 HTT (0.58) HTTMEN1KMT2APAK1PLA2G2A
SCHEMBL10356111 0.87 HTT (0.58) HTTMEN1KMT2APAK1PLA2G2A
SCHEMBL3650265 0.85 HTT (0.63) HTTMEN1KMT2APLA2G2APLA2G5
SCHEMBL10351740 0.83 HTT (0.61) HTTMEN1KMT2APLA2G2APLA2G5
SCHEMBL10794438 0.83 HTT (0.61) HTTMEN1KMT2APLA2G2APLA2G5
SCHEMBL9806444 0.83 HTT (0.61) HTTMEN1KMT2APLA2G2APLA2G5
SCHEMBL9717543 0.83 HTT (0.53) HTTMEN1KMT2APAK1MAPT
SCHEMBL10350952 0.83 HTT (0.61) HTTMEN1KMT2APLA2G2APLA2G5
SCHEMBL9806374 0.83 HTT (0.61) HTTMEN1KMT2APLA2G2APLA2G5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646052-B Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument 百乐墨水株式会社 2024-05-17 — — CN disclosed
CN-113785023-B Water-based ink composition for reversible thermochromic writing instrument, refill for refill and water-based ballpoint pen incorporating same 株式会社百乐 2023-05-12 — — CN disclosed
CN-113785023-A Water-based ink composition for reversible thermal discoloration writing instrument, refill containing the same, and water-based ballpoint pen 株式会社百乐 2021-12-10 — — CN disclosed
CN-113646052-A Reversible thermal discoloration composition, reversible thermal discoloration microcapsule pigment encapsulating the reversible thermal discoloration composition, and writing instrument using the reversible thermal discoloration microcapsule pigment 百乐墨水株式会社 2021-11-12 — — CN disclosed
WO-2020209118-A1 REVERSIBLY THERMOCHROMIC AQUEOUS INK COMPOSITION FOR WRITING UTENSILS, AND REFILL AND WATER-BASED BALLPOINT PEN EACH INTERNALLY CONTAINING SAME 株式会社パイロットコーポレーション 2020-10-15 — — WO disclosed
WO-2020203603-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT COMPRISING SAME, AND WRITING INSTRUMENT USING SAME パイロットインキ株式会社 2020-10-08 — — WO disclosed
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