SCHEMBL30839809

SCHEMBL30839809

COc1ccc(-c2ccc(OC)c(N)c2)cc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
TDP1 Q9NUW8 4/20 0.67
CYP3A4 P08684 2/20 0.67
TSHR P16473 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 1/20 0.61
THRB P10828 1/20 0.61
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
ADRA2B P18089 1/20 0.52
PTGS1 P23219 1/20 0.52
APP P05067 1/20 0.52
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49

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
SCHEMBL31607677 1.00 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL6863931 1.00 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL3793239 0.91 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL27889735 0.91 ALDH1A1 (0.83) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL330530 0.89 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL12312330 0.89 ALDH1A1 (0.68) ALDH1A1TDP1CYP3A4TSHRHSD17B10
Hydrochloric Acid SCHEMBL1143402 0.88 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL21999627 0.88 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL27952329 0.88 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL10209481 0.86 NTRK1 (0.58) ALDH1A1TDP1CYP3A4TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO claimed
CN-120092033-A Novel polyurethane or polyurethane-urea compositions with enhanced low temperature properties 英格维蒂英国有限公司 2025-06-03 CN claimed
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP disclosed
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO disclosed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO disclosed